N-{2,2,2-trichloro-1-[(2-methylbenzothioyl)amino]ethyl}propanamide

SpectraBase Compound ID	HmOlClxAdJf
InChI	InChI=1S/C13H15Cl3N2OS/c1-3-10(19)17-12(13(14,15)16)18-11(20)9-7-5-4-6-8(9)2/h4-7,12H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKey	QMCMRCTUYQOCKP-UHFFFAOYSA-N Google Search
Mol Weight	353.69 g/mol
Molecular Formula	C13H15Cl3N2OS
Exact Mass	351.997067 g/mol

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SpectraBase Spectrum ID	Ipqwg4o7ZCu
Name	N-{2,2,2-trichloro-1-[(2-methylbenzothioyl)amino]ethyl}propanamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C13H15Cl3N2OS/c1-3-10(19)17-12(13(14,15)16)18-11(20)9-7-5-4-6-8(9)2/h4-7,12H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKey	QMCMRCTUYQOCKP-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_14966
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 987/00001090; Labnumber: 987/00001090218812; VK_ID: VK-014971
Temperature	305 °C